4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine

C26H34N2OSi — CID 19763310

IUPAC4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine
SMILESCN(c1ccccc1)c1ccc(N(C)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C26H34N2OSi/c1-26(2,3)30(6,7)29-25-19-17-24(18-20-25)28(5)23-15-13-22(14-16-23)27(4)21-11-9-8-10-12-21/h8-20H,1-7H3
InChIKeyDGTGNZPIZWAWEL-UHFFFAOYSA-N
MW418.66 g/mol
LogP7.61
Rot. Bonds6

About 4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine

4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine (PubChem CID 19763310) has the molecular formula C26H34N2OSi and a molecular weight of 418.66 g/mol. Its IUPAC name is 4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine
PubChem CID19763310
Molecular FormulaC26H34N2OSi
Molecular Weight418.66 g/mol
Exact Mass418.24
IUPAC Name4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine
SMILESCN(c1ccccc1)c1ccc(N(C)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C26H34N2OSi/c1-26(2,3)30(6,7)29-25-19-17-24(18-20-25)28(5)23-15-13-22(14-16-23)27(4)21-11-9-8-10-12-21/h8-20H,1-7H3
InChIKeyDGTGNZPIZWAWEL-UHFFFAOYSA-N
XLogP7.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.66
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine (CID 19763310) is 4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine is CN(c1ccccc1)c1ccc(N(C)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine?
The InChIKey is DGTGNZPIZWAWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2OSi/c1-26(2,3)30(6,7)29-25-19-17-24(18-20-25)28(5)23-15-13-22(14-16-23)27(4)21-11-9-8-10-12-21/h8-20H,1-7H3.
What are the key properties of 4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine?
4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine has a molecular weight of 418.66 g/mol, XLogP of 7.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 19763310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).